SCHEMBL15041764

SCHEMBL15041764

CN(C)C(=O)c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(Cc2scnc2-c2nccs2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.39
CDK4 P11802 14/20 0.37
CCND1 P24385 6/20 0.37
CDK2 P24941 4/20 0.37
FGFR1 P11362 2/20 0.37
CCNA2 P20248 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
CCND3 P30281 9/20 0.35
CCNE1 P24864 1/20 0.35
CDK6 Q00534 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
SYK P43405 2/20 0.34
CAMK2D Q13557 1/20 0.34
CDK1 P06493 1/20 0.34
CDK9 P50750 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15034961 0.93 PRKCZ (0.39) PRKCZCDK4CCND1CDK2FGFR1
SCHEMBL15041641 0.79 CDK4 (0.37) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041219 0.78 CDK4 (0.39) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15034851 0.77 CDK4 (0.39) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041768 0.77 CDK4 (0.38) PRKCZCDK4CCND1CDK2FGFR1
SCHEMBL15035004 0.77 CDK4 (0.37) PRKCZCDK4CCND1CDK2FGFR1
SCHEMBL15041256 0.76 CDK4 (0.37) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041613 0.76 CDK4 (0.36) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041771 0.76 CDK4 (0.39) CDK4CCND1CDK2FGFR1CCNA2
SCHEMBL15041466 0.75 CDK4 (0.35) CDK4CCND1CDK2FGFR1CCNA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 PRKCZ 542/4885CDK4 408/4885CCND1 3984/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PRKCZ 283/4885CDK4 404/4885CCND1 2153/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.